MAXRD SYMBOL

ReflectionList

ReflectionList[n]
generates a list of all possible {h,k,l} combinations up to an integer n.

ReflectionList[n,condition]
generates a list of all possible {h,k,l} combinations up to an integer n that also satisfies condition.

ReflectionList[crystal]
generates a list of reflections for the given crystal and the corresponding wavelength stored in $CrystalData.

ReflectionList[crystal,λ]
generates a list of reflections for the given crystal and wavelength λ.

ReflectionList[crystal,λ,condition]
generates a list of reflections for the given crystal and wavelength λ, also taking condition into account.

Details and OptionsDetails and Options

  • n must be a natural number.
  • The lists generated from ReflectionList[n] will never contain the reflection {h,k,l}={0,0,0}, for any n. The list will have length equal to .
  • This function makes use of SystematicAbsentQ and MergeSymmetryEquivalentReflections. The function also filters out reflections that correspond to an imaginary Bragg angle for wavelength λ.
  • Options include:
  • "AngleThreshold"90.*Degreeignore relfections with Bragg angles [degree] above this limit
    "CustomReflections"Falsea list of custom reflections may be input if desired
    "HoldIndex"Falselock the value of a certain index
    "Keep"Alllimit the number of reflections to output
    "Limit"15limits the highest value any Miller index can have
    "ShowProgess"Truewhether to display a progress bar
    "SplitEquivalent"Falsewhether symmetry equivalent reflections should be split into separate rows
    "ToStandardSetting"Truewheter to apply ToStandardSetting on each output reflection
  • If ReflectionList is applied to an integer n (an not a crystal), the "Keep" option is not available.
  • If "SplitEquivalent" is set to True, the option "ToStandardSetting" will be ignored.